N-(2-morpholin-4-ium-4-ylethyl)-2,4-dinitro-aniline

Systemtic Name: N-(2-morpholin-4-ium-4-ylethyl)-2,4-dinitro-aniline Openeye Name: N-(2-morpholin-4-ium-4-ylethyl)-2,4-dinitro-aniline CAS Name: N-[2-(4-morpholin-4-iumyl)ethyl]-2,4-dinitroaniline IUPAC Name: N-(2-morpholin-4-ium-4-ylethyl)-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-(2-morpholin-4-ium-4-ylethyl)amine Formula: C12H17N4O5+ MolecularWeight: 297.28718

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1COCC[NH+]1CCNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N4O5/c17-15(18)10-1-2-11(12(9-10)16(19)20)13-3-4-14-5-7-21-8-6-14/h1-2,9,13H,3-8H2/p+1